SCHEMBL31239147

SCHEMBL31239147

CC(C)C[C@H](NC(=O)CN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 3/20 0.56
▸ NMUR1 Q9HB89 2/20 0.55
▸ OPRD1 P41143 5/20 0.53
▸ KEAP1 Q14145 3/20 0.53
▸ OPRM1 P35372 3/20 0.53
▸ OPRK1 P41145 2/20 0.53
▸ NTSR1 P30989 1/20 0.53
▸ RAMP3 O60896 1/20 0.53
▸ CALCR P30988 1/20 0.53
▸ CXCR4 P61073 2/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31239130 0.96 NMUR2 (0.55) NMUR2NMUR1OPRD1OPRM1OPRK1
SCHEMBL31239104 0.96 NMUR2 (0.58) NMUR2NMUR1OPRD1OPRM1OPRK1
SCHEMBL31239092 0.90 NMUR2 (0.57) NMUR2NMUR1KEAP1NTSR1
SCHEMBL31239093 0.88 NMUR2 (0.58) NMUR2NMUR1OPRM1OPRK1
SCHEMBL31239042 0.85 NTSR1 (0.58) NMUR2NMUR1OPRD1OPRM1NTSR1
SCHEMBL29632841 0.83 TFPI (0.64) NMUR2NMUR1RAMP3CALCR
SCHEMBL30186407 0.83 EPHA2 (0.58) NMUR2NMUR1RAMP3CALCRCXCR4
SCHEMBL17722486 0.83 TFPI (0.66) NMUR2NMUR1RAMP3CALCRCXCR4
SCHEMBL30933090 0.83 NMUR2 (0.53) NMUR2NMUR1OPRD1OPRM1NTSR1
SCHEMBL31323241 0.83 SLC6A2 (0.57) OPRD1KEAP1OPRM1NTSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119039391-B High affinity peptide of targeted trophoblast fine antigen 2 and application thereof 中国科学院基础医学与肿瘤研究所(筹) 2025-02-25 — — CN disclosed
CN-119039391-A High affinity peptide of targeted trophoblast fine antigen 2 and application thereof 中国科学院基础医学与肿瘤研究所(筹) 2024-11-29 — — CN disclosed
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